1-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C26H31N3O2S/c1-26(2,3)21-10-8-19(9-11-21)17-29(18-20-7-6-14-27-16-20)25(32)28-23-13-12-22(30-4)15-24(23)31-5/h6-16H,17-18H2,1-5H3,(H,28,32)